4-[1-(2-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[1-(2-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[1-(2-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3-methoxy-benzonitrile CAS Name: 4-[1-(2-fluorophenyl)-3-[4-(2-methoxyphenyl)-1-piperazinyl]propoxy]-3-methoxybenzonitrile IUPAC Name: 4-[1-(2-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3-methoxybenzonitrile Traditional Name: 4-[1-(2-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazino]propoxy]-3-methoxy-benzonitrile Formula: C28H30FN3O3 MolecularWeight: 475.554503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=CC=C3F)OC4=C(C=C(C=C4)C#N)OC

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=CC=C3F)OC4=C(C=C(C=C4)C#N)OC

InChI

InChI=1S/C28H30FN3O3/c1-33-26-10-6-5-9-24(26)32-17-15-31(16-18-32)14-13-25(22-7-3-4-8-23(22)29)35-27-12-11-21(20-30)19-28(27)34-2/h3-12,19,25H,13-18H2,1-2H3